Geometry & MOs

Info

ID:

417634

PubChem CID:

135102344

Reduced:

S2N4O4C13H18 (1)

Stoich.:

A2B4C4D13E18 (1)

Weight, g/mol:

735.374432

ΔHf, kcal/mol:

-101.65

Dipole, Da:

6.91

IP(EA), eV:

 -9.25(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,5R,8R)-2-benzyl-14-[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]-5-methyl-8-propan-2-yl-1,4,7,10,14-pentazacyclooctadecane-3,6,9,18-tetrone

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@@H]1NC(=O)C2=CN3C=CSC3=N2

DOS

IR

Vibrations